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	hartrees
Energy at 0K	-116.525048
Energy at 298.15K
HF Energy	-115.872997
Nuclear repulsion energy	63.964787

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.860
C2	0.000	0.647	-0.499
C3	0.000	-0.647	-0.499
H4	0.000	1.576	-1.034
H5	0.000	-1.576	-1.034
H6	0.911	0.000	1.449
H7	-0.911	0.000	1.449

	C1	C2	C3	H4	H5	H6	H7
C1		1.5053	1.5053	2.4642	2.4642	1.0850	1.0850
C2	1.5053		1.2940	1.0721	2.2864	2.2458	2.2458
C3	1.5053	1.2940		2.2864	1.0721	2.2458	2.2458
H4	2.4642	1.0721	2.2864		3.1519	3.0790	3.0790
H5	2.4642	2.2864	1.0721	3.1519		3.0790	3.0790
H6	1.0850	2.2458	2.2458	3.0790	3.0790		1.8228
H7	1.0850	2.2458	2.2458	3.0790	3.0790	1.8228

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	64.545	C1	C2	H4	145.401
C1	C3	C2	64.545	C1	C3	H5	145.401
C2	C1	C3	50.910	C2	C1	H6	119.339
C2	C1	H7	119.339	C2	C3	H5	150.054
C3	C1	H6	119.339	C3	C1	H7	119.339
C3	C2	H4	150.054	H6	C1	H7	114.270

All results from a given calculation for C₃H₄ (cyclopropene)

using model chemistry: QCISD(T)=FULL/aug-cc-pVQZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for C3H4 (cyclopropene)

using model chemistry: QCISD(T)=FULL/aug-cc-pVQZ

States and conformations

All results from a given calculation for C₃H₄ (cyclopropene)